Information card for entry 4335881

Structure parameters

• Formula: C15 H10 K N O5
• Calculated formula: C15 H10 K N O5
• Title of publication: Homochiral Helical Metal-Organic Frameworks of Group 1 Metals
• Authors of publication: Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10041 - 10051
• a: 8.705 ± 0.0005 Å
• b: 6.6081 ± 0.0004 Å
• c: 11.1731 ± 0.0007 Å
• α: 90°
• β: 99.1048 ± 0.001°
• γ: 90°
• Cell volume: 634.62 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No